N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide

C17H21N3O3 — CID 39608344

IUPACN-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide
SMILESCC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@H]3C[C@@H]3C)ccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-9(2)20-16(22)13-5-4-11(7-14(13)19-17(20)23)15(21)18-8-12-6-10(12)3/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,18,21)(H,19,23)/t10-,12+/m0/s1
InChIKeyQBCOPYIRWUXYMH-CMPLNLGQSA-N
MW315.37 g/mol
LogP1.66
Rot. Bonds4

About N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide

N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide (PubChem CID 39608344) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide
PubChem CID39608344
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide
SMILESCC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@H]3C[C@@H]3C)ccc2c1=O
InChIInChI=1S/C17H21N3O3/c1-9(2)20-16(22)13-5-4-11(7-14(13)19-17(20)23)15(21)18-8-12-6-10(12)3/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,18,21)(H,19,23)/t10-,12+/m0/s1
InChIKeyQBCOPYIRWUXYMH-CMPLNLGQSA-N
XLogP1.66
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide with MolForge

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Related Compounds

3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,4-dioxo-1H-quinazoline-7-carboxamide;hydrochloride
CID 120650490
7-chloro-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261622
[(1S,2S)-2-methylcyclopropyl]methyl 3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate
CID 99581043
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-methylpropyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 52513606
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-2,4-dioxo-3-pentyl-1H-quinazoline-7-carboxamide
CID 15998067
3-bromo-4-fluoro-N-[(2-methylcyclopropyl)methyl]benzamide
CID 103706830
4-oxo-N-[[(2R,3R)-2-propan-2-yloxan-3-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 99814346
4-oxo-N-[[(2S,3R)-2-propan-2-yloxan-3-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 99814347
3-ethyl-N-[[(1S,2S)-2-methylcyclopropyl]methyl]-4-oxo-N-propan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 99811606
N-(2-hydroxy-3,3-dimethylbutyl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 102559774
2,4-dioxo-3-phenyl-N-prop-2-ynyl-1H-quinazoline-7-carboxamide
CID 17434509
3-ethyl-2,4-dioxo-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-1H-quinazoline-7-carboxamide
CID 52508013

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide (CID 39608344) is N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide is CC(C)n1c(=O)[nH]c2cc(C(=O)NC[C@H]3C[C@@H]3C)ccc2c1=O.
What is the InChIKey of N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide?
The InChIKey is QBCOPYIRWUXYMH-CMPLNLGQSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-9(2)20-16(22)13-5-4-11(7-14(13)19-17(20)23)15(21)18-8-12-6-10(12)3/h4-5,7,9-10,12H,6,8H2,1-3H3,(H,18,21)(H,19,23)/t10-,12+/m0/s1.
What are the key properties of N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide?
N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2S)-2-methylcyclopropyl]methyl]-2,4-dioxo-3-propan-2-yl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 39608344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).